SCHEMBL6020243

SCHEMBL6020243

CCN(C#N)C(=O)C(C)(C)Cc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.45
ESR2 Q92731 6/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BLM P54132 1/20 0.43
TSHR P16473 1/20 0.43
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CHRM2 P08172 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RIPK1 Q13546 2/20 0.33
ESRRG P62508 2/20 0.33
CA2 P00918 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
ESRRB O95718 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6020589 0.87 RIPK1 (0.44) MEN1KMT2ATSHRCTSSCTSK
SCHEMBL6020488 0.80 CYP1A2 (0.41) CTSSCTSK
SCHEMBL11596247 0.70 BLM (0.67) ESR1ESR2MEN1KMT2ABLM
SCHEMBL6019686 0.70 CTSS (0.48) ESR1ESR2MEN1KMT2ABLM
SCHEMBL6021017 0.69 ALDH1A1 (0.43) CTSSCTSKALDH1A1OPRM1OPRK1
SCHEMBL6020196 0.69 ALDH1A1 (0.46) MEN1KMT2ATSHRCTSSCTSK
SCHEMBL8486868 0.67 ESR1 (0.50) ESR1ESR2MEN1KMT2ABLM
SCHEMBL6020250 0.67 ESR1 (0.44) ESR1ESR2MEN1KMT2ABLM
SCHEMBL3665931 0.66 ESR1 (0.53) ESR1ESR2MEN1KMT2ABLM
SCHEMBL6021491 0.66 CTSS (0.51) CTSSCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 ESR1 1523/4885ESR2 502/4885MEN1 4215/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.